3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline

C16H25N3 — CID 115318527

IUPAC3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1CCCN1CCCC1
InChIInChI=1S/C16H25N3/c1-14-13-17-15-7-2-3-8-16(15)19(14)12-6-11-18-9-4-5-10-18/h2-3,7-8,14,17H,4-6,9-13H2,1H3
InChIKeyQIOZBLKZAIYUKC-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.79
Rot. Bonds4

About 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline

3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 115318527) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
PubChem CID115318527
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1CCCN1CCCC1
InChIInChI=1S/C16H25N3/c1-14-13-17-15-7-2-3-8-16(15)19(14)12-6-11-18-9-4-5-10-18/h2-3,7-8,14,17H,4-6,9-13H2,1H3
InChIKeyQIOZBLKZAIYUKC-UHFFFAOYSA-N
XLogP2.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline (CID 115318527) is 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1CCCN1CCCC1.
What is the InChIKey of 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is QIOZBLKZAIYUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-14-13-17-15-7-2-3-8-16(15)19(14)12-6-11-18-9-4-5-10-18/h2-3,7-8,14,17H,4-6,9-13H2,1H3.
What are the key properties of 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline?
3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 259.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).